N,N-dimethyl-1-[(quinolin-6-ylmethylamino)methyl]cyclobutan-1-amine

C17H23N3 — CID 105414996

IUPACN,N-dimethyl-1-[(quinolin-6-ylmethylamino)methyl]cyclobutan-1-amine
SMILESCN(C)C1(CNCc2ccc3ncccc3c2)CCC1
InChIInChI=1S/C17H23N3/c1-20(2)17(8-4-9-17)13-18-12-14-6-7-16-15(11-14)5-3-10-19-16/h3,5-7,10-11,18H,4,8-9,12-13H2,1-2H3
InChIKeyLTHGLCOHJVQJCO-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.81
Rot. Bonds5

About N,N-dimethyl-1-[(quinolin-6-ylmethylamino)methyl]cyclobutan-1-amine

N,N-dimethyl-1-[(quinolin-6-ylmethylamino)methyl]cyclobutan-1-amine (PubChem CID 105414996) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N,N-dimethyl-1-[(quinolin-6-ylmethylamino)methyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(quinolin-6-ylmethylamino)methyl]cyclobutan-1-amine
PubChem CID105414996
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN,N-dimethyl-1-[(quinolin-6-ylmethylamino)methyl]cyclobutan-1-amine
SMILESCN(C)C1(CNCc2ccc3ncccc3c2)CCC1
InChIInChI=1S/C17H23N3/c1-20(2)17(8-4-9-17)13-18-12-14-6-7-16-15(11-14)5-3-10-19-16/h3,5-7,10-11,18H,4,8-9,12-13H2,1-2H3
InChIKeyLTHGLCOHJVQJCO-UHFFFAOYSA-N
XLogP2.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(quinolin-6-ylmethyl)prop-2-yn-1-amine
CID 28776188
N,N-dimethyl-1-[(quinolin-8-ylmethylamino)methyl]cyclobutan-1-amine
CID 105415743
1-[(isoquinolin-6-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 107038834
1-methyl-N-(quinolin-6-ylmethyl)cyclopropan-1-amine
CID 115635138
[1-(quinolin-6-ylmethylamino)cyclobutyl]methanol
CID 113263671
N-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-6-ylmethanamine
CID 63306756
4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N-dimethylaniline
CID 78912341
N-ethyl-N-methyl-2-(quinolin-6-ylmethylamino)acetamide
CID 104923508
1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79036169
2,2-dimethyl-N-(quinolin-6-ylmethyl)cyclopropan-1-amine
CID 61222294
3-chloro-2,2-dimethyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 115363507
cyclobutane;N-(quinolin-6-ylmethyl)but-3-yn-2-amine
CID 143817752

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(quinolin-6-ylmethylamino)methyl]cyclobutan-1-amine?
The IUPAC name of N,N-dimethyl-1-[(quinolin-6-ylmethylamino)methyl]cyclobutan-1-amine (CID 105414996) is N,N-dimethyl-1-[(quinolin-6-ylmethylamino)methyl]cyclobutan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[(quinolin-6-ylmethylamino)methyl]cyclobutan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[(quinolin-6-ylmethylamino)methyl]cyclobutan-1-amine is CN(C)C1(CNCc2ccc3ncccc3c2)CCC1.
What is the InChIKey of N,N-dimethyl-1-[(quinolin-6-ylmethylamino)methyl]cyclobutan-1-amine?
The InChIKey is LTHGLCOHJVQJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-20(2)17(8-4-9-17)13-18-12-14-6-7-16-15(11-14)5-3-10-19-16/h3,5-7,10-11,18H,4,8-9,12-13H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[(quinolin-6-ylmethylamino)methyl]cyclobutan-1-amine?
N,N-dimethyl-1-[(quinolin-6-ylmethylamino)methyl]cyclobutan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(quinolin-6-ylmethylamino)methyl]cyclobutan-1-amine is sourced from PubChem (CID 105414996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).